Structure of PDB 6slo Chain C Binding Site BS01

Receptor Information
>6slo Chain C (length=209) Species: 1439318 (Citrobacter freundii MGH 56) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKL
TVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFL
DANLAGSAMESTVMVLRNMVDPKDIDDDLEGEVTEECGKFGAVNRVIIYQ
EKQGEEEDAEIIVKIFVEFSIASETHKAIQALNGRWFAGRKVVAEVYDQE
RFDNSDLSA
Ligand information
Ligand IDLJT
InChIInChI=1S/C23H30ClN3O3S/c1-29-20-15-19-23(16-21(20)30-2)31-22-5-4-17(24)14-18(22)27(19)7-3-6-25-8-10-26(11-9-25)12-13-28/h4-5,14-16,28H,3,6-13H2,1-2H3
InChIKeyGKWVWOUUPIERSK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl
CACTVS 3.385COc1cc2Sc3ccc(Cl)cc3N(CCCN4CCN(CCO)CC4)c2cc1OC
FormulaC23 H30 Cl N3 O3 S
Name2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
ChEMBL
DrugBank
ZINC
PDB chain6slo Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6slo Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		M466 E479 E483 K486 F487 L529 R532 F534 V539
Binding residue
(residue number reindexed from 1)		M119 E132 E136 K139 F140 L182 R185 F187 V192
Annotation score1
Binding affinityMOAD: ic50=178.1uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0015035 protein-disulfide reductase activity

View graph for
Molecular Function
External links
PDB RCSB:6slo, PDBe:6slo, PDBj:6slo
PDBsum6slo
PubMed33159082
UniProtQ9UHX1|PUF60_HUMAN Poly(U)-binding-splicing factor PUF60 (Gene Name=PUF60)

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